Biochanin

Representations & DB's id
ChEBI:	CHEBI:17574
ChEMBL:	CHEMBL131921
PubChem:	5280373
IUPAC:	5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
Standard InChI:	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Standard InChI Key:	WUADCCWRTIWANL-UHFFFAOYSA-N
SMILES:	COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O

Molecular propeties
AlogP:	2.88
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	2
Rotatable bonds:	2
Number of rings:	3
Molecular Weight:	284.07
Topological polar surface area:	76
Number of aromatic rings:	3
Fsp3:	0.062
Number of carbons:	16

Plant sources

Part of plant	Plant name	Ref.
Plant	Trigonella foenum-graecum
Plant	Trigonella foenum-graecum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	34000 nM	Cytochrome P450 19A1	P11511
Ki	12000 nM	Cytochrome P450 19A1	P11511
IC50	34000 nM	Cytochrome P450 19A1	P11511
IC50	3.39E+13 nM	Cytochrome P450 19A1	P11511
Ki	12000 nM	Cytochrome P450 19A1	P11511
Others	80 %	Serine/threonine-protein kinase PIM1	P11309
Others	69 %	Serine/threonine-protein kinase PIM1	P11309
IC50	30 ug/ml	Epidermal growth factor receptor erbB1	P00533
Others	84 %	Canalicular multispecific organic anion transporter 1	Q92887
Others	9.3 %	Carbonyl reductase [NADPH] 1	P16152
IC50	12710 nM	Carbonyl reductase [NADPH] 1	P16152
Ki	2030 nM	Carbonyl reductase [NADPH] 1	P16152
Others	45 %	Estradiol 17-beta-dehydrogenase 1	P14061
Others	10.1 %	Estradiol 17-beta-dehydrogenase 2	P37059
IC50	9900 nM	Estradiol 17-beta-dehydrogenase 2	P37059
Others	1400	Androgen Receptor	P10275
IC50	1600000 nM	Androgen Receptor	P10275
IC50	10.2 nM	Cytochrome P450 19A1	P11511
Potency	28183.8 nM	Prelamin-A/C	P02545
Potency	1258.9 nM	ATP-dependent DNA helicase Q1	P46063
Potency	31622.8 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	35481.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	31622.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	2818.4 nM	Ras-related protein Rab-9A	P51151
Potency	17782.8 nM	Survival motor neuron protein	Q16637
Potency	19952.6 nM	Survival motor neuron protein	Q16637
EC50	2060 nM	Signal transducer and activator of transcription 1-alpha/beta	P42224
Potency	7943.3 nM	Cytochrome P450 2C19	P33261
Potency	2818.4 nM	Microtubule-associated protein tau	P10636
Potency	2238.7 nM	Microtubule-associated protein tau	P10636
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	10000 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	7079.5 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	39810.7 nM	Microtubule-associated protein tau	P10636
Potency	17782.8 nM	Microtubule-associated protein tau	P10636
Potency	10000 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	15848.9 nM	Arachidonate 12-lipoxygenase	P18054
Potency	15848.9 nM	MAP kinase ERK2	P28482
Potency	2238.7 nM	Niemann-Pick C1 protein	O15118
Potency	35481.3 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	10000 nM	Cellular tumor antigen p53	P04637
Potency	12589.3 nM	Cellular tumor antigen p53	P04637
EC50	55700 nM	Signal transducer and activator of transcription 3	P40763
Potency	19952.6 nM	Cytochrome P450 3A4	P08684
Potency	31622.8 nM	Cytochrome P450 2D6	P10635
Potency	25.1 nM	Cytochrome P450 2C9	P11712
Potency	19952.6 nM	Cytochrome P450 3A4	P08684
Potency	2238.7 nM	Beta-glucocerebrosidase	P04062
Potency	56234.1 nM	Cellular tumor antigen p53	P04637
Potency	23109.3 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	7307.8 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	3264.3 nM	Geminin	O75496
Potency	16360.1 nM	Geminin	O75496
Potency	501.2 nM	Glucagon-like peptide 1 receptor	P43220
Potency	2511.9 nM	Breast cancer type 1 susceptibility protein	P38398
IC50	113000 nM	Cytochrome P450 19A1	P11511
Ki	10000 nM	Carbonic anhydrase I	P00915
Ki	10000 nM	Carbonic anhydrase II	P00918
Ki	7078.5 nM	Carbonic anhydrase IV	P22748
Ki	371.5 nM	Carbonic anhydrase VII	P43166
Ki	52.5 nM	Carbonic anhydrase XII	O43570
IC50	127000 nM	Aldose reductase	P15121
IC50	36100 nM	Aldo-keto reductase family 1 member B10	O60218

Biochanin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data